Essays about: "Tillståndstäthet"

Found 5 essays containing the word Tillståndstäthet.

1. 1. First principles DFT study of polyethylene insulation containing chemical impurities - implementing counterpoise correction

   University essay from KTH/Tillämpad fysik

   Author : Max Pierre; [2022]
   Keywords : Applied physics; HVDC cable; Polymer physics; Polyethylene; Density functional theory; Molecular dynamics; CP2K; GROMAC; Electron traps; Band gaps; Density of states; Tillämpad fysik; HVDC kabel; Polymerfysik; Polyeten; Täthetsfunktionalteori; Molekulärdynamik; CP2K; GROMACS; Elektronfällor; Bandgap; Tillståndstäthet;

   Abstract : Density functional theory (DFT) calculations of polyethylene (PE) HVDC cable insulation have been performed for systems containing four different chemical impurities: acetophenone, cumene, $\alpha$-methyl styrene and $\alpha$-cumyl alcohol. Systems were generated by molecular dynamics (MD) equilibration at four different temperatures relevant for cable insulation applications: 277 K, 293 K, 343 K and 363 K. READ MORE

3. 2. Charge transfer states at polymer solar cell interfaces : Insights from atomic-scale modeling

   University essay from Karlstads universitet/Institutionen för ingenjörsvetenskap och fysik (from 2013)

   Author : Rickard Svensson; [2022]
   Keywords : organic solar cells; OSC; polymer; interface; charge transfer; non-fullerene acceptor; PYT; PBDB-T; DFT; TD-DFT; conformation; alkyl groups; methylation; HOMO; LUMO; FMO; NTO; UV-Vis; DOS; exciton; exciton binding energy; dipole moment; open-circuit voltage; organiska solceller; OSC; polymer; gränssnitt; laddningsöverföring; icke-fullerenacceptor; PYT; PBDB-T; DFT; TD-DFT; konformation; alkylgrupper; metylering; HOMO; LUMO; FMO; NTO; UV-Vis; DOS; exciton; excitonbindningsenergi; dipolmoment; tomgångsspänning;

   Abstract : Organic solar cells (OSCs) based on non-fullerene acceptors (NFAs) have attracted a great deal of attention in recent years due to their rapidly increasing efficiency and enormous potential. In this work, the optical and electronic properties of systems containing the very promising non-fullerene acceptor PYT have been thoroughly studied with the use of the density functional theory (DFT) and the time-dependent density functional theory (TDDFT). READ MORE

4. 3. Study on the Electronic Band Structure of the Spinel Superconductor LiTi2O4

   University essay from KTH/Tillämpad fysik

   Author : Gaia Di Berardino; [2022]
   Keywords : LiTi2O4; anomalous superconductivity; density functional theory; ARPES; electronic band structure; PLD; condensed matter physics; material science; LiTi2O4; okonventionell supraledning; funktionell densitetsteori; ARPES; elektronisk bandstruktur; PLD; kondenserade materiens fysik; materialvetenskap;

   Abstract : This master’s thesis focuses on investigating the electronic properties of the superconducting spinel compound LiTi2O4 by means of computational and experimental effort. The title compound has been extensively studied in the past years, being the only known superconducting spinel oxide with relatively high Tc = 11.5 K. READ MORE

5. 4. Fabrication and Evaluation of Sb2Te3/PVDF Hybrid Thermoelectric Films

   University essay from KTH/Tillämpad fysik

   Author : Bo Yu; [2020]
   Keywords : ;

   Abstract : Thermoelectric (TE) materials and devices have been extensively studied for harvesting waste heat energy. There is more interest to fabricate TE materials and devices at low cost and highly-efficient ways. READ MORE

6. 5. Modeling Radiation Induced Degradation of Lattice Thermal Conductivity

   University essay from KTH/Materialvetenskap

   Author : Robin Andersson; [2020]
   Keywords : ;

   Abstract : Nuclear power technology is currently experiencing a revolutionary development process and its utilization is researched and debated throughout the world whereas sustainability is one of the most important topics in the material science arena. Some components in a nuclear power plant are subject to an irradiating environment which will cause significant damage to the material over time. READ MORE